HRID141002

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID28179

Fluoride

F-

HCID105144

Palladium(2+)

Pd+2

HCID2737814

3-Aminocarbonylphenylboronic acid

C7H8BNO3

结构：O=S(=O)(OC1=CC2CCC(C1)N2Cc1ccccc1)C(F)(F)F

HCID49835910

8-Benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl trifluoromethanesulfonate

C15H16F3NO3S

PRODUCTS

生成物

结构：NC(=O)c1cccc(C2=CC3CCC(C2)N3Cc2ccccc2)c1

HCID67101284

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b04afa69bf949a9a384412053c34f8e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([NH2:2])(=[O:3])[c:4]1[cH:5][c:6]([B:10]([OH:11])[OH:12])[cH:7][cH:8][cH:9]1.[CH2:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[N:22]1[CH:23]2[CH:24]=[C:25]([O:30][S:31]([C:32]([F:33])([F:34])[F:35])(=[O:36])=[O:37])[CH2:26][CH:27]1[CH2:28][CH2:29]2.[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[F-:13].[K+:14].[O-:39][C:40]([CH3:41])=[O:42].[O-:43][C:44]([CH3:45])=[O:46].[Pd+2:38]>>[C:1]([NH2:2])(=[O:3])[c:4]1[cH:5][c:6]([C:25]2=[CH:24][CH:23]3[N:22]([CH2:15][c:16]4[cH:17][cH:18][cH:19][cH:20][cH:21]4)[CH:27]([CH2:26]2)[CH2:28][CH2:29]3)[cH:7][cH:8][cH:9]1